N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide

C21H17F2NO2 — CID 4206436

IUPACN-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1)N(Cc1ccccc1F)OCc1ccccc1F
InChIInChI=1S/C21H17F2NO2/c22-19-12-6-4-10-17(19)14-24(21(25)16-8-2-1-3-9-16)26-15-18-11-5-7-13-20(18)23/h1-13H,14-15H2
InChIKeyKYXLKTHAALNRSV-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.74
Rot. Bonds6

About N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide

N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 4206436) has the molecular formula C21H17F2NO2 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID4206436
Molecular FormulaC21H17F2NO2
Molecular Weight353.37 g/mol
Exact Mass353.12
IUPAC NameN-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1)N(Cc1ccccc1F)OCc1ccccc1F
InChIInChI=1S/C21H17F2NO2/c22-19-12-6-4-10-17(19)14-24(21(25)16-8-2-1-3-9-16)26-15-18-11-5-7-13-20(18)23/h1-13H,14-15H2
InChIKeyKYXLKTHAALNRSV-UHFFFAOYSA-N
XLogP4.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide (CID 4206436) is N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide is O=C(c1ccccc1)N(Cc1ccccc1F)OCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is KYXLKTHAALNRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO2/c22-19-12-6-4-10-17(19)14-24(21(25)16-8-2-1-3-9-16)26-15-18-11-5-7-13-20(18)23/h1-13H,14-15H2.
What are the key properties of N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide?
N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 353.37 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methoxy]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 4206436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).